C3A Converted by convert_cif2sdf.py 2024/03/29 11:09:15 76 80 0 0 0 0 0 0 0 0999 V2000 -9.3698 0.3476 -2.6900 C 0 0 0 0 0 -6.1918 -0.3017 -0.9370 C 0 0 0 0 0 -10.5180 -0.2706 -2.8151 C 0 0 0 0 0 -8.5192 0.1178 -1.4670 C 0 0 0 0 0 -7.1374 -0.0787 -1.8684 O 0 0 0 0 0 -6.4937 -0.3409 0.2388 O 0 0 0 0 0 -3.8802 -0.7279 -0.2955 C 0 0 0 0 0 -3.3771 0.6090 0.2530 C 0 0 0 0 0 -4.9091 -0.4836 -1.3094 N 0 0 0 0 0 -4.5148 1.3166 0.9924 C 0 0 0 0 0 -4.0127 2.6535 1.5409 C 0 0 0 0 0 -5.1217 3.3644 2.3499 C 0 0 0 0 0 -4.9942 4.8544 1.9830 C 0 0 0 0 0 -3.8574 4.9750 1.0452 N 0 0 0 0 0 -3.7275 3.6473 0.3873 C 0 0 0 0 0 -2.7313 -1.4792 -0.9179 C 0 0 0 0 0 -2.5812 -1.4702 -2.1165 O 0 0 0 0 0 -1.7869 -2.2279 -0.0598 C 0 0 0 0 0 -1.8292 -2.3230 1.2440 N 0 0 0 0 0 -0.9115 -3.0083 1.6422 O 0 0 0 0 0 -0.1733 -3.4302 0.6095 C 0 0 0 0 0 1.0529 -4.3030 0.6844 C 0 0 0 0 0 2.2786 -3.4359 0.8196 C 0 0 0 0 0 2.9443 -3.0027 -0.3126 C 0 0 0 0 0 4.0634 -2.2054 -0.1960 C 0 0 0 0 0 4.5306 -1.8446 1.0693 C 0 0 0 0 0 3.8581 -2.2896 2.2072 C 0 0 0 0 0 2.7362 -3.0821 2.0762 C 0 0 0 0 0 5.7328 -0.9945 1.2014 C 0 0 0 0 0 6.1372 -0.6814 2.3046 O 0 0 0 0 0 6.3811 -0.5664 0.1003 N 0 0 0 0 0 7.5726 0.2763 0.2318 C 0 0 0 0 0 8.4812 0.1389 -1.0083 C 0 0 0 0 0 9.0726 1.5166 -1.2207 C 0 0 0 0 0 10.1706 1.9165 -1.9624 C 0 0 0 0 0 10.5283 3.2494 -2.0104 C 0 0 0 0 0 9.7878 4.1885 -1.3163 C 0 0 0 0 0 8.6917 3.7905 -0.5757 C 0 0 0 0 0 8.3321 2.4547 -0.5265 C 0 0 0 0 0 7.1927 1.7724 0.2004 C 0 0 0 0 0 -0.7195 -2.9483 -0.4776 N 0 0 0 0 0 -9.0328 1.0216 -3.4633 H 0 0 0 0 0 -11.1277 -0.1060 -3.6919 H 0 0 0 0 0 -10.8528 -0.9488 -2.0443 H 0 0 0 0 0 -8.5874 0.9835 -0.8098 H 0 0 0 0 0 -8.8736 -0.7678 -0.9403 H 0 0 0 0 0 -4.3024 -1.3180 0.5168 H 0 0 0 0 0 -2.5506 0.4326 0.9405 H 0 0 0 0 0 -3.0358 1.2349 -0.5717 H 0 0 0 0 0 -4.6682 -0.4535 -2.2480 H 0 0 0 0 0 -5.3414 1.4940 0.3048 H 0 0 0 0 0 -4.8562 0.6907 1.8172 H 0 0 0 0 0 -3.1218 2.5081 2.1531 H 0 0 0 0 0 -6.1020 2.9859 2.0609 H 0 0 0 0 0 -4.9604 3.2234 3.4186 H 0 0 0 0 0 -5.9103 5.1980 1.5013 H 0 0 0 0 0 -4.8004 5.4433 2.8798 H 0 0 0 0 0 -4.1392 5.6281 0.3293 H 0 0 0 0 0 -2.7208 3.5101 -0.0061 H 0 0 0 0 0 -4.4696 3.5358 -0.4044 H 0 0 0 0 0 0.9770 -4.9625 1.5481 H 0 0 0 0 0 1.1297 -4.9003 -0.2244 H 0 0 0 0 0 2.5817 -3.2828 -1.2911 H 0 0 0 0 0 4.5803 -1.8643 -1.0812 H 0 0 0 0 0 4.2138 -2.0135 3.1890 H 0 0 0 0 0 2.2144 -3.4268 2.9566 H 0 0 0 0 0 6.0578 -0.8154 -0.7795 H 0 0 0 0 0 8.1190 0.0314 1.1428 H 0 0 0 0 0 9.2717 -0.5865 -0.8183 H 0 0 0 0 0 7.8940 -0.1589 -1.8766 H 0 0 0 0 0 10.7502 1.1836 -2.5044 H 0 0 0 0 0 11.3859 3.5590 -2.5903 H 0 0 0 0 0 10.0668 5.2311 -1.3522 H 0 0 0 0 0 8.1141 4.5245 -0.0338 H 0 0 0 0 0 6.2586 1.9140 -0.3431 H 0 0 0 0 0 7.1042 2.1610 1.2146 H 0 0 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 1 42 1 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 2 9 1 0 0 0 3 43 1 0 0 0 3 44 1 0 0 0 4 5 1 0 0 0 4 45 1 0 0 0 4 46 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 16 1 0 0 0 7 47 1 0 0 0 8 10 1 0 0 0 8 48 1 0 0 0 8 49 1 0 0 0 9 50 1 0 0 0 10 11 1 0 0 0 10 51 1 0 0 0 10 52 1 0 0 0 11 12 1 0 0 0 11 15 1 0 0 0 11 53 1 0 0 0 12 13 1 0 0 0 12 54 1 0 0 0 12 55 1 0 0 0 13 14 1 0 0 0 13 56 1 0 0 0 13 57 1 0 0 0 14 15 1 0 0 0 14 58 1 0 0 0 15 59 1 0 0 0 15 60 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 18 19 2 0 0 0 18 41 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 21 41 2 0 0 0 22 23 1 0 0 0 22 61 1 0 0 0 22 62 1 0 0 0 23 24 1 0 0 0 23 28 2 0 0 0 24 25 2 0 0 0 24 63 1 0 0 0 25 26 1 0 0 0 25 64 1 0 0 0 26 27 2 0 0 0 26 29 1 0 0 0 27 28 1 0 0 0 27 65 1 0 0 0 28 66 1 0 0 0 29 30 2 0 0 0 29 31 1 0 0 0 31 32 1 0 0 0 31 67 1 0 0 0 32 33 1 0 0 0 32 40 1 0 0 0 32 68 1 0 0 0 33 34 1 0 0 0 33 69 1 0 0 0 33 70 1 0 0 0 34 35 2 0 0 0 34 39 1 0 0 0 35 36 1 0 0 0 35 71 1 0 0 0 36 37 2 0 0 0 36 72 1 0 0 0 37 38 1 0 0 0 37 73 1 0 0 0 38 39 2 0 0 0 38 74 1 0 0 0 39 40 1 0 0 0 40 75 1 0 0 0 40 76 1 0 0 0 M END $$$$